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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50121905'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin B


(Rattus norvegicus)
BDBM50121905
PNG
(CHEMBL284984 | [(S)-1-((2S,3S)-2-Benzyloxy-4-oxo-a...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-24(29-23-25(32)30-26(23)34-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-27(33)35-18-21-14-8-3-9-15-21/h1-15,22-23,26H,16-18H2,(H,28,33)(H,29,31)(H,30,32)/t22-,23+,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair